3-(2,5-dimethoxyphenyl)-2-N,2-N,4-trimethylpentane-2,3-diamine

C16H28N2O2 — CID 43830152

IUPAC3-(2,5-dimethoxyphenyl)-2-N,2-N,4-trimethylpentane-2,3-diamine
SMILESCOc1ccc(OC)c(C(N)(C(C)C)C(C)N(C)C)c1
InChIInChI=1S/C16H28N2O2/c1-11(2)16(17,12(3)18(4)5)14-10-13(19-6)8-9-15(14)20-7/h8-12H,17H2,1-7H3
InChIKeyRRVQXWBTIHHEPM-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.46
Rot. Bonds6

About 3-(2,5-dimethoxyphenyl)-2-N,2-N,4-trimethylpentane-2,3-diamine

3-(2,5-dimethoxyphenyl)-2-N,2-N,4-trimethylpentane-2,3-diamine (PubChem CID 43830152) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)-2-N,2-N,4-trimethylpentane-2,3-diamine.

Molecular Properties

Compound Name3-(2,5-dimethoxyphenyl)-2-N,2-N,4-trimethylpentane-2,3-diamine
PubChem CID43830152
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name3-(2,5-dimethoxyphenyl)-2-N,2-N,4-trimethylpentane-2,3-diamine
SMILESCOc1ccc(OC)c(C(N)(C(C)C)C(C)N(C)C)c1
InChIInChI=1S/C16H28N2O2/c1-11(2)16(17,12(3)18(4)5)14-10-13(19-6)8-9-15(14)20-7/h8-12H,17H2,1-7H3
InChIKeyRRVQXWBTIHHEPM-UHFFFAOYSA-N
XLogP2.46
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,5-dimethoxyphenyl)-2-N,2-N,5-trimethylhex-5-ene-2,3-diamine
CID 43830156
2-(2,5-dimethoxyphenyl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 43830167
1-cyclopropyl-1-(2,5-dimethoxyphenyl)ethanamine
CID 82239533
1-(2,5-dimethoxyphenyl)-1,1-difluoro-2-methylpropan-2-amine
CID 116839369
2-(2,5-dimethoxyphenyl)-3-N,3-N-diethylpentane-2,3-diamine
CID 43830158
3-amino-2-(2,5-dimethoxyphenyl)-1,1,1-trifluorobutan-2-ol
CID 63083616
methyl 3-(2,5-dimethoxyphenyl)-3-hydroxy-2-propan-2-ylbutanoate
CID 62395777
1-(3-chlorophenyl)-1-(2,5-dimethoxyphenyl)ethanamine
CID 62801327
2-(1-chloro-2-methylpropan-2-yl)-1,4-dimethoxybenzene
CID 82081447
2-(2-methoxy-5-propan-2-ylphenyl)-3-methylbutan-2-amine
CID 82291393
1-(2,5-dimethoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 16642877
1-(2,5-dimethoxyphenyl)-2,2,2-trifluoro-N,N-dimethylethanamine
CID 116914326

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)-2-N,2-N,4-trimethylpentane-2,3-diamine?
The IUPAC name of 3-(2,5-dimethoxyphenyl)-2-N,2-N,4-trimethylpentane-2,3-diamine (CID 43830152) is 3-(2,5-dimethoxyphenyl)-2-N,2-N,4-trimethylpentane-2,3-diamine.
What is the SMILES notation for 3-(2,5-dimethoxyphenyl)-2-N,2-N,4-trimethylpentane-2,3-diamine?
The canonical SMILES for 3-(2,5-dimethoxyphenyl)-2-N,2-N,4-trimethylpentane-2,3-diamine is COc1ccc(OC)c(C(N)(C(C)C)C(C)N(C)C)c1.
What is the InChIKey of 3-(2,5-dimethoxyphenyl)-2-N,2-N,4-trimethylpentane-2,3-diamine?
The InChIKey is RRVQXWBTIHHEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-11(2)16(17,12(3)18(4)5)14-10-13(19-6)8-9-15(14)20-7/h8-12H,17H2,1-7H3.
What are the key properties of 3-(2,5-dimethoxyphenyl)-2-N,2-N,4-trimethylpentane-2,3-diamine?
3-(2,5-dimethoxyphenyl)-2-N,2-N,4-trimethylpentane-2,3-diamine has a molecular weight of 280.41 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyphenyl)-2-N,2-N,4-trimethylpentane-2,3-diamine is sourced from PubChem (CID 43830152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).